SCHEMBL20856610

SCHEMBL20856610

C=CC(=O)Nc1ccccc1CCO

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 6/20 0.49
▸ PTPN1 P18031 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.43
▸ FGFR4 P22455 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ EGFR P00533 1/20 0.39
▸ RORC P51449 2/20 0.39
▸ F13A1 P00488 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TGM1 P22735 1/20 0.39
▸ TGM3 Q08188 1/20 0.39
▸ BTK Q06187 1/20 0.38
▸ MAPK3 P27361 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20856584 0.90 TGM2 (0.46) TGM2PTPN1PTPN11TRPV1FGFR4
Alcohol SCHEMBL20856541 0.86 THRA (0.43) TGM2PTPN1PTPN11TRPV1ALDH1A1
SCHEMBL2386224 0.86 ALDH1A1 (0.54) TGM2PTPN1PTPN11TRPV1FGFR4
SCHEMBL20856368 0.85 TGM2 (0.50) TGM2PTPN1PTPN11FGFR4ALDH1A1
SCHEMBL9192222 0.84 PTPN1 (0.47) TGM2PTPN1PTPN11FGFR4ALDH1A1
SCHEMBL7178423 0.83 EGFR (0.52) TGM2ALDH1A1EGFRLMNA
SCHEMBL10437098 0.83 THRA (0.50) TGM2PTPN1PTPN11EGFR
SCHEMBL11409642 0.81 TGM2 (0.44) TGM2PTPN1PTPN11FGFR4ALDH1A1
SCHEMBL28738658 0.81 THRA (0.56) TGM2EGFR
SCHEMBL15938830 0.81 TGM2 (0.50) TGM2PTPN1PTPN11FGFR4ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019067396-A1 ZAP-70 KINASE INHIBITOR COMPOSITIONS, METHODS AND USES THEREOF SNAP BIO, INC. (US) 2019-04-04 — — WO disclosed
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